N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C11H17N5O3 — CID 83101108

IUPACN-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1n[nH]c(NC(=O)CCNC(=O)C2CC2C)n1
InChIInChI=1S/C11H17N5O3/c1-6-5-7(6)9(18)12-4-3-8(17)13-10-14-11(19-2)16-15-10/h6-7H,3-5H2,1-2H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyPPAUCDWHFCBVAO-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.09
Rot. Bonds6

About N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 83101108) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID83101108
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC NameN-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1n[nH]c(NC(=O)CCNC(=O)C2CC2C)n1
InChIInChI=1S/C11H17N5O3/c1-6-5-7(6)9(18)12-4-3-8(17)13-10-14-11(19-2)16-15-10/h6-7H,3-5H2,1-2H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyPPAUCDWHFCBVAO-UHFFFAOYSA-N
XLogP-0.09
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 83101108) is N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is COc1n[nH]c(NC(=O)CCNC(=O)C2CC2C)n1.
What is the InChIKey of N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is PPAUCDWHFCBVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-6-5-7(6)9(18)12-4-3-8(17)13-10-14-11(19-2)16-15-10/h6-7H,3-5H2,1-2H3,(H,12,18)(H2,13,14,15,16,17).
What are the key properties of N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 83101108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).